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Ligand · X20

X20 · tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

X20, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (C24 H24 Cl N5 O4, 481.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
X20
Formula
C24 H24 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

X20 in 2 structures; the first of them:

  • 4C4I · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · X20 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 10 more
  • 4C4I · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · X20 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 10 more

Residues it binds most

ILE 2, ALA 2, GLY 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol

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